SCHEMBL5113091

SCHEMBL5113091

COC(=O)c1cccc(CSc2nc3cc(C(F)(F)F)ccc3n2C(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.51
DRD2 P14416 1/20 0.47
TBXA2R P21731 1/20 0.47
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
TP53 P04637 3/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GNRHR P30968 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5114373 0.90 PTGDR2 (0.53) PTGDR2DRD2TBXA2RNPC1SMN1; SMN2
SCHEMBL5112254 0.88 PTGDR2 (0.66) PTGDR2DRD2TBXA2RNPC1SMN1; SMN2
SCHEMBL5115383 0.86 PTGDR2 (0.51) PTGDR2DRD2TBXA2RNPC1SMN1; SMN2
SCHEMBL5120417 0.85 PTGDR2 (0.50) PTGDR2DRD2TBXA2RNPC1SMN1; SMN2
SCHEMBL5121659 0.83 PTGDR2 (0.75) PTGDR2DRD2TBXA2RMAPT
SCHEMBL5114382 0.81 SMN1; SMN2 (0.46) PTGDR2TBXA2RNPC1SMN1; SMN2LMNA
SCHEMBL5122683 0.78 PTGDR2 (0.64) PTGDR2DRD2TBXA2RNPC1SMN1; SMN2
SCHEMBL5118653 0.78 PTGDR2 (0.52) PTGDR2DRD2TBXA2RNPC1SMN1; SMN2
SCHEMBL5110335 0.77 PTGDR2 (0.68) PTGDR2DRD2TBXA2RTP53MEN1
SCHEMBL5107639 0.73 PTGDR2 (0.48) PTGDR2NPC1SMN1; SMN2RAB9APOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US disclosed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists HRH2, HRH1, HRH3 PTGDR2 12/4885DRD2 1984/4885TBXA2R 20/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.